Simulation of direct chlorination of ethylene in a two-phase reactor by coupling equilibrium, kinetic and population balance models

Abstract

Abstract The purpose of presented research is the mathematical simulation and sensitivity analysis of ethylene dichloride synthesis (EDC) through direct chlorination of ethylene in a bubble column reactor at steady state condition. In the first step, the reactor is heterogeneously simulated based on the energy and mass balance equations by coupling the mass and energy, kinetic, equilibrium, and population balance models. In the considered process, the gaseous ethylene and chlorine are dispersed and dissolved in the liquid medium and converted to EDC at the presence of a homogeneous catalyst. The population balance model is applied to calculate the heat and mass transfer area along the reactor. To investigate the accuracy of established model, the results of simulation are compared with the plant data. It is confirmed that temperature, pressure, rate of mass transfer, breakage, and coalescence phenomena change the bubble diameter and distribution in the chlorination reactor. In the second step, the effects of operating pressure and temperature on the EDC production rate are investigated by the developed model. In the third step, considering EDC production rate as the cost function the optimal operating temperature of reactor is developed at steady state condition. Based on the obtained results, the optimal operating temperature is 357 K and EDC production at the optimal condition is 23.79 mol s−1.